The electronic structures and magnetic properties of one-dimensional ABO6 chains in Sr3ABO6 (A = Co, Ni; B = Pt, Ir) and two-dimensional MO3 sheets in InMO3 (M = Fe, Mn) Original Research Article

Extended Hückel calculations were carried out on the electronic structure of one-dimensional ABO6 chains in Sr3ABO6 (A = Co, Ni; B = Pt, Ir) and two-dimensional MO3 sheets in InMnO3 (M = Fe, Mn). The band structure were compared to the levels of model fragments in an attempt to understand the nature of metal-metal interactions in these oxides. In the ABO6 chains it appears that both direct and oxygen-mediated A-B interactions are very small. In the MO3 sheets only and indirect M-O-M intralayer interaction was found to be significant. The relationship between the band structures and the magnetic properties of the oxides is discussed.